4-amino-1-pentylpiperidine-4-carboxylic acid

C11H22N2O2 — CID 117011769

IUPAC4-amino-1-pentylpiperidine-4-carboxylic acid
SMILESCCCCCN1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-7-13-8-5-11(12,6-9-13)10(14)15/h2-9,12H2,1H3,(H,14,15)
InChIKeyGFENZZOIWMTJRM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds5

About 4-amino-1-pentylpiperidine-4-carboxylic acid

4-amino-1-pentylpiperidine-4-carboxylic acid (PubChem CID 117011769) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-1-pentylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-pentylpiperidine-4-carboxylic acid
PubChem CID117011769
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-1-pentylpiperidine-4-carboxylic acid
SMILESCCCCCN1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-7-13-8-5-11(12,6-9-13)10(14)15/h2-9,12H2,1H3,(H,14,15)
InChIKeyGFENZZOIWMTJRM-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
(4-amino-1-butylpiperidin-4-yl)methanol
CID 117012084
3-amino-1-(3-ethylsulfanylpropyl)pyrrolidine-3-carboxylic acid
CID 107320794
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
1-hexyl-4,4-dimethylpiperidine
CID 18722930
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
4,4-difluoro-1-heptylpiperidine
CID 138507375

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pentylpiperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-pentylpiperidine-4-carboxylic acid (CID 117011769) is 4-amino-1-pentylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-pentylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-pentylpiperidine-4-carboxylic acid is CCCCCN1CCC(N)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-pentylpiperidine-4-carboxylic acid?
The InChIKey is GFENZZOIWMTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-7-13-8-5-11(12,6-9-13)10(14)15/h2-9,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-1-pentylpiperidine-4-carboxylic acid?
4-amino-1-pentylpiperidine-4-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pentylpiperidine-4-carboxylic acid is sourced from PubChem (CID 117011769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).